SCHEMBL26875320

SCHEMBL26875320

Cn1nc2ccc(OCc3ccccn3)cc2c1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
PLA2G2A P14555 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
PDE5A O76074 6/20 0.42
PDE4A P27815 6/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26670528 0.90 PARP10 (0.46) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL26696046 0.88 PDE4A (0.49) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL30714655 0.85 PARP10 (0.43) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL30714586 0.85 PARP10 (0.43) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL26868980 0.84 PARP10 (0.41) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL30714595 0.84 GPR132 (0.43) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL26868378 0.83 GRM5 (0.42) PARP10MAPK14SMOCYP2C9MAPK1
SCHEMBL30714591 0.83 PARP10 (0.41) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL30714696 0.83 SMO (0.42) PARP10MAPK14SMOPDE5APDE4A
SCHEMBL26869339 0.83 SMO (0.42) PARP10MAPK14SMOPDE5APDE4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed